Reaction Details  Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM200742
Substrate
n/a
Meas. Tech.
Receptors Binding Assay
IC50
0.400±n/a nM
Citation
 Aiguade Bosch, J; Gual Roig, S; Prat Quinones, M; Puig Duran, C Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities US Patent  US9757383 Publication Date 9/12/2017
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3
Type:
Enzyme
Mol. Mass.:
66151.03
Organism:
Homo sapiens (Human)
Description:
P20309
Residue:
590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
  
Inhibitor
Name:
BDBM200742
Synonyms:
US9233108, 2 | US9757383, Example 2
Type:
Small organic molecule
Emp. Form.:
C39H43N5O7S2
Mol. Mass.:
757.918
SMILES:
CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2[nH]c1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:35.42,wD:13.13,32.35,(6.74,6.38,;5.23,6.06,;4.76,4.59,;5.79,3.45,;5.31,1.99,;6.34,.84,;6.02,-.67,;4.69,-1.44,;4.69,-2.98,;6.02,-3.75,;6.02,-5.29,;7.36,-6.06,;7.36,-7.6,;8.69,-8.37,;10.02,-7.6,;8.69,-9.91,;7.36,-10.68,;7.36,-12.22,;8.69,-12.99,;8.69,-14.53,;10.02,-12.22,;11.36,-12.99,;12.69,-12.22,;14.03,-12.99,;12.69,-10.68,;11.36,-9.91,;10.02,-10.68,;7.36,-2.98,;7.36,-1.44,;8.5,-.4,;7.88,1,;8.65,2.34,;4.2,7.2,;4.68,8.67,;3.65,9.81,;2.14,9.49,;1.67,8.03,;2.7,6.88,;1.11,10.64,;-.39,10.32,;-.87,8.85,;-1.42,11.46,;-.28,12.49,;-2.45,12.61,;-3.99,12.44,;-4.61,13.85,;-3.47,14.88,;-2.13,14.11,;-2.57,10.43,;-2.41,8.9,;-3.81,8.27,;-4.84,9.42,;-4.07,10.75,)|
Structure:
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